cyclohex-2-en-1-ylideneazanium

C6H10N+ — CID 135014091

IUPACcyclohex-2-en-1-ylideneazanium
SMILES[NH2+]=C1C=CCCC1
InChIInChI=1S/C6H9N/c7-6-4-2-1-3-5-6/h2,4,7H,1,3,5H2/p+1
InChIKeyHKZLNGQCWGVZIW-UHFFFAOYSA-O
MW96.15 g/mol
LogP-0.07
Rot. Bonds

About cyclohex-2-en-1-ylideneazanium

cyclohex-2-en-1-ylideneazanium (PubChem CID 135014091) has the molecular formula C6H10N+ and a molecular weight of 96.15 g/mol. Its IUPAC name is cyclohex-2-en-1-ylideneazanium.

Molecular Properties

Compound Namecyclohex-2-en-1-ylideneazanium
PubChem CID135014091
Molecular FormulaC6H10N+
Molecular Weight96.15 g/mol
Exact Mass96.08
IUPAC Namecyclohex-2-en-1-ylideneazanium
SMILES[NH2+]=C1C=CCCC1
InChIInChI=1S/C6H9N/c7-6-4-2-1-3-5-6/h2,4,7H,1,3,5H2/p+1
InChIKeyHKZLNGQCWGVZIW-UHFFFAOYSA-O
XLogP-0.07
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.15
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ylideneazanium?
The IUPAC name of cyclohex-2-en-1-ylideneazanium (CID 135014091) is cyclohex-2-en-1-ylideneazanium.
What is the SMILES notation for cyclohex-2-en-1-ylideneazanium?
The canonical SMILES for cyclohex-2-en-1-ylideneazanium is [NH2+]=C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ylideneazanium?
The InChIKey is HKZLNGQCWGVZIW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9N/c7-6-4-2-1-3-5-6/h2,4,7H,1,3,5H2/p+1.
What are the key properties of cyclohex-2-en-1-ylideneazanium?
cyclohex-2-en-1-ylideneazanium has a molecular weight of 96.15 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylideneazanium is sourced from PubChem (CID 135014091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).